4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole

C11H10F3NO2S3 — CID 166288533

IUPAC4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(c1cccs1)S(=O)(=O)Cc1csc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3NO2S3/c1-7(9-3-2-4-18-9)20(16,17)6-8-5-19-10(15-8)11(12,13)14/h2-5,7H,6H2,1H3
InChIKeyXTOTVMZMHIXLOC-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.90
Rot. Bonds4

About 4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole

4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 166288533) has the molecular formula C11H10F3NO2S3 and a molecular weight of 341.40 g/mol. Its IUPAC name is 4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID166288533
Molecular FormulaC11H10F3NO2S3
Molecular Weight341.40 g/mol
Exact Mass340.98
IUPAC Name4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(c1cccs1)S(=O)(=O)Cc1csc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3NO2S3/c1-7(9-3-2-4-18-9)20(16,17)6-8-5-19-10(15-8)11(12,13)14/h2-5,7H,6H2,1H3
InChIKeyXTOTVMZMHIXLOC-UHFFFAOYSA-N
XLogP3.90
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole (CID 166288533) is 4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole is CC(c1cccs1)S(=O)(=O)Cc1csc(C(F)(F)F)n1.
What is the InChIKey of 4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XTOTVMZMHIXLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2S3/c1-7(9-3-2-4-18-9)20(16,17)6-8-5-19-10(15-8)11(12,13)14/h2-5,7H,6H2,1H3.
What are the key properties of 4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 341.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-2-ylethylsulfonylmethyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166288533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).